![L-Leucine, N-[N-[N-[5-amino-6-(4-hydroxyphenyl)-1-oxo-3-hexenyl]glycyl]-L-phenyl alanyl]-, [S-(E)]-](/api/spectrum/DJ5fid9gstE/structure.png?h=300&w=458 "L-Leucine, N-[N-[N-[5-amino-6-(4-hydroxyphenyl)-1-oxo-3-hexenyl]glycyl]-L-phenyl alanyl]-, [S-(E)]-")
| SpectraBase Compound ID | D3KzMBx0Ysc |
|---|---|
| InChI | InChI=1S/C29H38N4O6/c1-19(2)15-25(29(38)39)33-28(37)24(17-20-7-4-3-5-8-20)32-27(36)18-31-26(35)10-6-9-22(30)16-21-11-13-23(34)14-12-21/h3-9,11-14,19,22,24-25,34H,10,15-18,30H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)(H,38,39)/b9-6+ |
| InChIKey | KUUYTUXHUIHPFI-RMKNXTFCSA-N |
| Mol Weight | 538.6 g/mol |
| Molecular Formula | C29H38N4O6 |
| Exact Mass | 538.279135 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DJ5fid9gstE |
|---|---|
| Name | L-Leucine, N-[N-[N-[5-amino-6-(4-hydroxyphenyl)-1-oxo-3-hexenyl]glycyl]-L-phenyl alanyl]-, [S-(E)]- |
| Alternate Name(s) | (S)-trans-5-amino-6-(4-hydroxyphenyl)hex-3-enoylglycyl-(l)-phenylalanyl-(l)-leucine N-{2-[({[(3E)-5-amino-6-(4-hydroxyphenyl)-3-hexenoyl]amino}acetyl)amino]-3-phenylpropanoyl}leucine |
| CAS Registry Number | 74974-43-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H38N4O6 |
| InChI | InChI=1S/C29H38N4O6/c1-19(2)15-25(29(38)39)33-28(37)24(17-20-7-4-3-5-8-20)32-27(36)18-31-26(35)10-6-9-22(30)16-21-11-13-23(34)14-12-21/h3-9,11-14,19,22,24-25,34H,10,15-18,30H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)(H,38,39)/b9-6+ |
| InChIKey | KUUYTUXHUIHPFI-RMKNXTFCSA-N |
| Molecular Weight | 538.645 g/mol |
| SMILES | N(C(C(NC(CNC(C\C=C\C(Cc1ccc(cc1)O)N)=O)=O)Cc1ccccc1)=O)C(C(=O)O)CC(C)C |
| SPLASH | splash10-052f-5900000000-8f2f537cc7376716972d |
| Source of Spectrum | KC-1982-313-0 |
| Wiley ID | 1404330 |